CID 212455

24269-82-7

Structural Information

Molecular Formula
C19H37N3O2
SMILES
CC(C)N(CCN1CCN(CC1)C(=O)OC2CCCCC2)C(C)C
InChI
InChI=1S/C19H37N3O2/c1-16(2)22(17(3)4)15-12-20-10-13-21(14-11-20)19(23)24-18-8-6-5-7-9-18/h16-18H,5-15H2,1-4H3
InChIKey
IYORFGUNGYURLV-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.28857 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.29585 188.6
[M+Na]+ 362.27779 186.5
[M-H]- 338.28129 190.7
[M+NH4]+ 357.32239 198.7
[M+K]+ 378.25173 185.9
[M+H-H2O]+ 322.28583 178.3
[M+HCOO]- 384.28677 199.0
[M+CH3COO]- 398.30242 218.5
[M+Na-2H]- 360.26324 183.7
[M]+ 339.28802 183.0
[M]- 339.28912 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.